2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol

C27H36O2 — CID 22770259

IUPAC2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
SMILESCCc1cc(Cc2cc(CC)cc(C3CCCC3)c2O)c(O)c(C2CCCC2)c1
InChIInChI=1S/C27H36O2/c1-3-18-13-22(26(28)24(15-18)20-9-5-6-10-20)17-23-14-19(4-2)16-25(27(23)29)21-11-7-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3
InChIKeyNCRCUOZBWJCCNS-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.13
Rot. Bonds6

About 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol

2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol (PubChem CID 22770259) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol.

Molecular Properties

Compound Name2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
PubChem CID22770259
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
SMILESCCc1cc(Cc2cc(CC)cc(C3CCCC3)c2O)c(O)c(C2CCCC2)c1
InChIInChI=1S/C27H36O2/c1-3-18-13-22(26(28)24(15-18)20-9-5-6-10-20)17-23-14-19(4-2)16-25(27(23)29)21-11-7-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3
InChIKeyNCRCUOZBWJCCNS-UHFFFAOYSA-N
XLogP7.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol?
The IUPAC name of 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol (CID 22770259) is 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol.
What is the SMILES notation for 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol?
The canonical SMILES for 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol is CCc1cc(Cc2cc(CC)cc(C3CCCC3)c2O)c(O)c(C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol?
The InChIKey is NCRCUOZBWJCCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c1-3-18-13-22(26(28)24(15-18)20-9-5-6-10-20)17-23-14-19(4-2)16-25(27(23)29)21-11-7-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3.
What are the key properties of 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol?
2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol has a molecular weight of 392.58 g/mol, XLogP of 7.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol is sourced from PubChem (CID 22770259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).